N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline

C58H37FN2O — CID 121357410

IUPACN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)Oc6cccc8cccc-7c68)cc5)cc4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-45-24-32-49(33-25-45)61-54-14-5-4-12-50(54)53-36-43(23-35-55(53)61)40-18-28-47(29-19-40)60(46-26-16-39(17-27-46)38-8-2-1-3-9-38)48-30-20-41(21-31-48)44-22-34-51-52-13-6-10-42-11-7-15-56(58(42)52)62-57(51)37-44/h1-37H
InChIKeyCIGRPQKPVFWYGP-UHFFFAOYSA-N
MW796.95 g/mol
LogP16.32
Rot. Bonds7

About N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline

N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline (PubChem CID 121357410) has the molecular formula C58H37FN2O and a molecular weight of 796.95 g/mol. Its IUPAC name is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline
PubChem CID121357410
Molecular FormulaC58H37FN2O
Molecular Weight796.95 g/mol
Exact Mass796.29
IUPAC NameN-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)Oc6cccc8cccc-7c68)cc5)cc4)ccc32)cc1
InChIInChI=1S/C58H37FN2O/c59-45-24-32-49(33-25-45)61-54-14-5-4-12-50(54)53-36-43(23-35-55(53)61)40-18-28-47(29-19-40)60(46-26-16-39(17-27-46)38-8-2-1-3-9-38)48-30-20-41(21-31-48)44-22-34-51-52-13-6-10-42-11-7-15-56(58(42)52)62-57(51)37-44/h1-37H
InChIKeyCIGRPQKPVFWYGP-UHFFFAOYSA-N
XLogP16.32
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.95
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline (CID 121357410) is N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc7c(c6)Oc6cccc8cccc-7c68)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline?
The InChIKey is CIGRPQKPVFWYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37FN2O/c59-45-24-32-49(33-25-45)61-54-14-5-4-12-50(54)53-36-43(23-35-55(53)61)40-18-28-47(29-19-40)60(46-26-16-39(17-27-46)38-8-2-1-3-9-38)48-30-20-41(21-31-48)44-22-34-51-52-13-6-10-42-11-7-15-56(58(42)52)62-57(51)37-44/h1-37H.
What are the key properties of N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline?
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline has a molecular weight of 796.95 g/mol, XLogP of 16.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 121357410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).